UCSF

ZINC37788472

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.30 8.25 -61.73 1 7 -1 100 287.299 6
Lo Low (pH 4.5-6) 0.30 8.71 -64.55 2 7 0 101 288.307 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )